Information card for entry 1569256

Structure parameters

• Formula: C8 H13 I N P
• Calculated formula: C8 H13 I N P
• SMILES: c1(ccccc1)[P+](C)(N)C.[I-]
• Title of publication: A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N₂-derived molybdenum nitride.
• Authors of publication: Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 51
• Pages of publication: 7955 - 7958
• a: 12.818 ± 0.007 Å
• b: 6.851 ± 0.003 Å
• c: 12.453 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1093.6 ± 0.9 ų
• Cell temperature: 274 ± 2 K
• Ambient diffraction temperature: 274 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No